4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one

C18H22N2O2 — CID 82447084

IUPAC4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one
SMILESCCCCn1nc(-c2ccc(C)cc2C)cc(C(C)=O)c1=O
InChIInChI=1S/C18H22N2O2/c1-5-6-9-20-18(22)16(14(4)21)11-17(19-20)15-8-7-12(2)10-13(15)3/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyBYXKYQJKIQABRA-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.53
Rot. Bonds5

About 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one

4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one (PubChem CID 82447084) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one
PubChem CID82447084
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one
SMILESCCCCn1nc(-c2ccc(C)cc2C)cc(C(C)=O)c1=O
InChIInChI=1S/C18H22N2O2/c1-5-6-9-20-18(22)16(14(4)21)11-17(19-20)15-8-7-12(2)10-13(15)3/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyBYXKYQJKIQABRA-UHFFFAOYSA-N
XLogP3.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dimethylphenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446675
4-(aminomethyl)-2-butyl-6-(2,5-dimethylphenyl)pyridazin-3-one
CID 82447107
1-butyl-5-(2,4-dimethylphenyl)pyrazole-3-carboxylic acid
CID 82306392
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
ethyl 2-butyl-6-(2-chlorophenyl)-3-oxopyridazine-4-carboxylate
CID 100785403
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
CID 82444815
4-amino-6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
CID 82444814
4-acetyl-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82446951
2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447051
2-[6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444824
1-butyl-3-(2-methylphenyl)pyrazol-5-amine
CID 61270915

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one?
The IUPAC name of 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one (CID 82447084) is 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one?
The canonical SMILES for 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one is CCCCn1nc(-c2ccc(C)cc2C)cc(C(C)=O)c1=O.
What is the InChIKey of 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one?
The InChIKey is BYXKYQJKIQABRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-6-9-20-18(22)16(14(4)21)11-17(19-20)15-8-7-12(2)10-13(15)3/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one?
4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one has a molecular weight of 298.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 82447084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).